Ab initio GW quasiparticle calculation of small alkali-metal clusters
Journal Article
·
· Physical Review B
OSTI ID:806133
- LBNL Library
Quasiparticle energies of small alkali-metal clusters are evaluated from first principles by means of the GW approximation with the generalized plasmon-pole model. An all-electron mixed-basis approach, in which wave function is represented as a linear combination of both plane waves and atomic orbitals, is adopted in the calculation. Obtained quasiparticle energies (ionization potential and electron affinity) are in good agreement with experimental data.
- Research Organization:
- Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
- Sponsoring Organization:
- USDOE Director, Office of Science. Office of Basic Energy Studies. Materials Science and Engineering Division; National Science Foundation (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 806133
- Report Number(s):
- LBNL--51693; B& R KC0202030
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 24 Vol. 65
- Country of Publication:
- United States
- Language:
- English
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